SCHEMBL3405049

SCHEMBL3405049

CN(C)C1(c2ccccc2)CCC(COCc2c[nH]c3ccc(OC(F)(F)F)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.49
OPRM1 P35372 9/20 0.49
HTR1D P28221 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1B P28222 1/20 0.38
SLC6A4 P31645 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3431453 0.87 OPRL1 (0.50) OPRL1OPRM1SLC6A4DRD2DRD3
SCHEMBL3428458 0.86 OPRM1 (0.65) OPRL1OPRM1SLC6A4
SCHEMBL3405979 0.84 OPRL1 (0.65) OPRL1OPRM1HTR1ASLC6A4
SCHEMBL3405007 0.83 OPRL1 (0.49) OPRL1OPRM1SLC6A4DRD2DRD3
SCHEMBL3403643 0.80 OPRL1 (0.38) OPRL1OPRM1
SCHEMBL3402489 0.79 OPRL1 (0.51) OPRL1OPRM1
SCHEMBL3430225 0.74 OPRL1 (0.52) OPRL1OPRM1
SCHEMBL3404197 0.74 OPRL1 (0.48) OPRL1OPRM1DRD2DRD3
SCHEMBL3428775 0.73 OPRM1 (0.50) OPRL1OPRM1SLC6A4
SCHEMBL733908 0.72 OPRL1 (0.47) OPRL1OPRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254864-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2010-12-01 EP claimed
WO-2009106307-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2009-09-03 WO claimed
US-20090215725-A1 Substituted 4-aminocyclohexane derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US claimed
EP-2254864-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2014-05-14 EP disclosed
EP-2254864-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2010-12-01 EP disclosed
WO-2009106307-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2009-09-03 WO disclosed
US-20090215725-A1 Substituted 4-aminocyclohexane derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090215725-A1 Substituted 4-aminocyclohexane derivatives OPRL1, OPRD1, OPRK1 OPRL1 1/4885OPRM1 7/4885HTR1D 50/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.